SCHEMBL28758331

SCHEMBL28758331

Clc1cc(Cl)cc(CN2CCN(c3cccc4s[c]nc34)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.45
DRD2 P14416 8/20 0.45
DRD3 P35462 6/20 0.45
SIGMAR1 Q99720 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NCF1 P14598 1/20 0.38
ALDH1A1 P00352 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27666274 0.82 MAPT (0.41) L3MBTL1MAPTNPSR1TDP1MEN1
SCHEMBL27666126 0.79 ALDH1A1 (0.46) DRD4DRD2DRD3MAPTTDP1
SCHEMBL5015080 0.78 DRD2 (0.41) DRD4DRD2DRD3SIGMAR1L3MBTL1
SCHEMBL5015079 0.78 DRD2 (0.41) DRD4DRD2DRD3SIGMAR1L3MBTL1
SCHEMBL27666286 0.77 MEN1 (0.54) DRD2SIGMAR1MAPTNPSR1MEN1
SCHEMBL27644481 0.77 ALDH1A1 (0.52) DRD4DRD3TDP1MEN1RAB9A
SCHEMBL27645280 0.75 HRH1 (0.38)
SCHEMBL27666383 0.73 GNRHR (0.43) DRD4DRD2DRD3NPSR1TDP1
SCHEMBL558603 0.72 SMN1; SMN2 (0.43) L3MBTL1MAPTTDP1MEN1NPC1
SCHEMBL27644453 0.71 SIGMAR1 (0.47) DRD2SIGMAR1MAPTTDP1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed